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ACROSORGANICS-ZINC02242620

 MMsINC code: MMs00013219
Type: Neutral
Formula: C6H11ClO2
SMILES:   ClCOC(=O)C(C)(C)C
InChI:   InChI=1/C6H11ClO2/c1-6(2,3)5(8)9-4-7/h4H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.8007 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.605 g/mol  logS: -1.08216  SlogP: 1.772  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.29996  Sterimol/B1: 2.45274  Sterimol/B2: 2.56078  Sterimol/B3: 4.11014
  Sterimol/B4: 4.70207  Sterimol/L: 9.74122 
 
 Surface and Volume Properties
  Accessible surface: 336.434  Positive charged surface: 194.03  Negative charged surface: 142.404  Volume: 143.875
  Hydrophobic surface: 174.511  Hydrophilic surface: 161.923
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.